CID 9859199

2-(carbamoylamino)-4-chlorobenzoic acid

Structural Information

Molecular Formula
C8H7ClN2O3
SMILES
C1=CC(=C(C=C1Cl)NC(=O)N)C(=O)O
InChI
InChI=1S/C8H7ClN2O3/c9-4-1-2-5(7(12)13)6(3-4)11-8(10)14/h1-3H,(H,12,13)(H3,10,11,14)
InChIKey
XASXTCYIFHJOFC-UHFFFAOYSA-N
Compound name
2-(carbamoylamino)-4-chlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

214.01453 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.02181 141.6
[M+Na]+ 237.00375 149.9
[M-H]- 213.00725 144.1
[M+NH4]+ 232.04835 159.6
[M+K]+ 252.97769 146.3
[M+H-H2O]+ 197.01179 136.8
[M+HCOO]- 259.01273 161.0
[M+CH3COO]- 273.02838 186.9
[M+Na-2H]- 234.98920 144.9
[M]+ 214.01398 141.2
[M]- 214.01508 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe